2,2-bis(4-amino-3,5-dimethylcyclohexyl)propanedinitrile

C19H32N4 — CID 141301418

IUPAC2,2-bis(4-amino-3,5-dimethylcyclohexyl)propanedinitrile
SMILESCC1CC(C(C#N)(C#N)C2CC(C)C(N)C(C)C2)CC(C)C1N
InChIInChI=1S/C19H32N4/c1-11-5-15(6-12(2)17(11)22)19(9-20,10-21)16-7-13(3)18(23)14(4)8-16/h11-18H,5-8,22-23H2,1-4H3
InChIKeyFEIUHCHGJNHGQU-UHFFFAOYSA-N
MW316.49 g/mol
LogP3.04
Rot. Bonds2

About 2,2-bis(4-amino-3,5-dimethylcyclohexyl)propanedinitrile

2,2-bis(4-amino-3,5-dimethylcyclohexyl)propanedinitrile (PubChem CID 141301418) has the molecular formula C19H32N4 and a molecular weight of 316.49 g/mol. Its IUPAC name is 2,2-bis(4-amino-3,5-dimethylcyclohexyl)propanedinitrile.

Molecular Properties

Compound Name2,2-bis(4-amino-3,5-dimethylcyclohexyl)propanedinitrile
PubChem CID141301418
Molecular FormulaC19H32N4
Molecular Weight316.49 g/mol
Exact Mass316.26
IUPAC Name2,2-bis(4-amino-3,5-dimethylcyclohexyl)propanedinitrile
SMILESCC1CC(C(C#N)(C#N)C2CC(C)C(N)C(C)C2)CC(C)C1N
InChIInChI=1S/C19H32N4/c1-11-5-15(6-12(2)17(11)22)19(9-20,10-21)16-7-13(3)18(23)14(4)8-16/h11-18H,5-8,22-23H2,1-4H3
InChIKeyFEIUHCHGJNHGQU-UHFFFAOYSA-N
XLogP3.04
TPSA99.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4-amino-3,5-dimethylcyclohexyl)propanedinitrile?
The IUPAC name of 2,2-bis(4-amino-3,5-dimethylcyclohexyl)propanedinitrile (CID 141301418) is 2,2-bis(4-amino-3,5-dimethylcyclohexyl)propanedinitrile.
What is the SMILES notation for 2,2-bis(4-amino-3,5-dimethylcyclohexyl)propanedinitrile?
The canonical SMILES for 2,2-bis(4-amino-3,5-dimethylcyclohexyl)propanedinitrile is CC1CC(C(C#N)(C#N)C2CC(C)C(N)C(C)C2)CC(C)C1N.
What is the InChIKey of 2,2-bis(4-amino-3,5-dimethylcyclohexyl)propanedinitrile?
The InChIKey is FEIUHCHGJNHGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4/c1-11-5-15(6-12(2)17(11)22)19(9-20,10-21)16-7-13(3)18(23)14(4)8-16/h11-18H,5-8,22-23H2,1-4H3.
What are the key properties of 2,2-bis(4-amino-3,5-dimethylcyclohexyl)propanedinitrile?
2,2-bis(4-amino-3,5-dimethylcyclohexyl)propanedinitrile has a molecular weight of 316.49 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4-amino-3,5-dimethylcyclohexyl)propanedinitrile is sourced from PubChem (CID 141301418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).